REMARK  Name = LIG000131
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.530  -0.491  -0.218  0.00  0.00    -0.181 N 
ATOM      2  C   LIG    1        0.675  -0.135  -0.864  0.00  0.00    +0.353 A 
ATOM      3  O   LIG    1        0.777   0.724  -1.743  0.00  0.00    -0.244 OA
ATOM      4  N   LIG    1        1.808  -0.838  -0.458  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1        1.772  -1.863   0.457  0.00  0.00    +0.288 A 
ATOM      6  O   LIG    1        2.678  -2.656   0.692  0.00  0.00    -0.265 OA
ATOM      7  C   LIG    1        0.480  -2.035   1.185  0.00  0.00    +0.210 A 
ATOM      8  N   LIG    1       -0.586  -1.392   0.825  0.00  0.00    -0.152 NA
ENDROOT
BRANCH   1  14
ATOM      9  C   LIG    1       -5.755   1.753  -1.405  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -4.411   1.163  -1.081  0.00  0.00    -0.047 A 
ATOM     11  C   LIG    1       -4.222   0.323   0.026  0.00  0.00    -0.046 A 
ATOM     12  C   LIG    1       -5.355  -0.023   0.953  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -2.938  -0.201   0.282  0.00  0.00    +0.031 A 
ATOM     14  C   LIG    1       -1.821   0.083  -0.532  0.00  0.00    +0.071 A 
ATOM     15  C   LIG    1       -2.047   0.916  -1.634  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -3.316   1.447  -1.904  0.00  0.00    +0.006 A 
ENDBRANCH   1  14
BRANCH   7  17
ATOM     17  C   LIG    1        0.345  -2.978   2.372  0.00  0.00    +0.267 C 
ATOM     18  O   LIG    1       -0.268  -2.644   3.374  0.00  0.00    -0.268 OA
ATOM     19  N   LIG    1        0.950  -4.201   2.253  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1        0.986  -4.761   3.096  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1        1.709  -4.325   1.589  0.00  0.00    +0.145 HD
ENDBRANCH   7  17
BRANCH   4  22
ATOM     22  C   LIG    1        3.084  -0.536  -1.090  0.00  0.00    +0.165 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.893   0.440  -0.263  0.00  0.00    -0.028 A 
ATOM     24  C   LIG    1        3.684   1.821  -0.388  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        4.411   2.720   0.393  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.350   2.249   1.309  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.562   0.879   1.446  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.836  -0.022   0.667  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 4